2,4,6-tris(propan-2-yl)benzene-1-sulfonohydrazide

• ChemBase ID: 90308
• Molecular Formular: C15H26N2O2S
• Molecular Mass: 298.44414
• Monoisotopic Mass: 298.17149908
• SMILES: S(=O)(=O)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)NN
• Canonical SMILES: NNS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3
• InChIKey: UGRVYFQFDZRNMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-tris(propan-2-yl)benzene-1-sulfonohydrazide
• IUPAC Traditional name: 2,4,6-triisopropylbenzenesulfonohydrazide
• Synonyms: 2,4,6-Triisopropylbenzenesulfonohydrazide; 2,4,6-Triisopropylbenzenesulphonohydrazide 95%; TPSH; 2,4,6-Triisopropylbenzenesulfonohydrazide; Trisylhydrazide; 2,4,6-Triisopropylbenzenesulfonyl hydrazide; 2,4,6-Triisopropylbenzenesulfonohydrazide; 2,4,6-三异丙基苯磺酰基肼; 2,4,6-三异丙基苯磺酰肼; 2,4,6-三异丙基苯磺酰基肼

Database IDs

• CAS Number: 39085-59-1
• EC Number: 254-282-7
• MDL Number: MFCD00014750
• Beilstein Number: 2145001
• PubChem SID: 24889601; 24851533; 162077128
• PubChem CID: 359333

CALCULATED PROPERTIES

• Acid pKa: 10.4927435
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.01777
• LogD (pH = 7.4): 4.0176873
• Log P: 4.0178285
• Molar Refractivity: 85.2724 cm^3
• Polarizability: 33.36377 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 110-112 °C (dec.)(lit.); 110-112°C dec.; 114°C

Safety Information

• Storage Condition: Store at -20°C
• Storage Warning: Irritant; Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥90% (HPLC); 90%; 97%
• Grade: technical
• Linear Formula: [(CH3)2CH]3C6H2SO2NHNH2

DETAILS

Sigma Aldrich - 192198

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 92078

Other Notes
Convenient source of diimide1; For the preparation of vinyllithium compounds from ketones (Sharpio reaction)2; For the synthesis of homologated nitriles from aldehydes and ketones3; For the preparation of aryldiazoalkanes4